2-(furan-2-ylmethyl)-2-methylbutanoic acid

C10H14O3 — CID 62998305

IUPAC2-(furan-2-ylmethyl)-2-methylbutanoic acid
SMILESCCC(C)(Cc1ccco1)C(=O)O
InChIInChI=1S/C10H14O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,11,12)
InChIKeyHRXSODQIEPZKBY-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.32
Rot. Bonds4

About 2-(furan-2-ylmethyl)-2-methylbutanoic acid

2-(furan-2-ylmethyl)-2-methylbutanoic acid (PubChem CID 62998305) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-2-methylbutanoic acid
PubChem CID62998305
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(furan-2-ylmethyl)-2-methylbutanoic acid
SMILESCCC(C)(Cc1ccco1)C(=O)O
InChIInChI=1S/C10H14O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,11,12)
InChIKeyHRXSODQIEPZKBY-UHFFFAOYSA-N
XLogP2.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2-ethyl-2-(furan-2-ylmethyl)hexanoic acid
CID 62998124
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
(2R)-2-amino-3-(furan-2-ylmethylsulfanyl)-3-methylbutanoic acid
CID 106442450
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
2-amino-2-ethyl-5-(furan-2-ylmethylsulfanyl)pentanoic acid
CID 106807228

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-2-methylbutanoic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-2-methylbutanoic acid (CID 62998305) is 2-(furan-2-ylmethyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-2-methylbutanoic acid is CCC(C)(Cc1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethyl)-2-methylbutanoic acid?
The InChIKey is HRXSODQIEPZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-10(2,9(11)12)7-8-5-4-6-13-8/h4-6H,3,7H2,1-2H3,(H,11,12).
What are the key properties of 2-(furan-2-ylmethyl)-2-methylbutanoic acid?
2-(furan-2-ylmethyl)-2-methylbutanoic acid has a molecular weight of 182.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-2-methylbutanoic acid is sourced from PubChem (CID 62998305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).